General Information of the Compound
| Compound ID |
CP0526402
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| Compound Name |
US9012651, 188
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| Structure |
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| Formula |
C16H17F3N4O
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| Molecular Weight |
338.333
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| Canonical SMILES |
OC[C@H](NCc1ccnc(n1)-c1ccc(nc1)C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C16H17F3N4O/c17-16(18,19)14-4-3-11(7-22-14)15-20-6-5-12(23-15)8-21-13(9-24)10-1-2-10/h3-7,10,13,21,24H,1-2,8-9H2/t13-/m0/s1
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| InChIKey |
DOAJPAJJWNXINH-ZDUSSCGKSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound